Information card for entry 2017008

Structure parameters

• Chemical name: bis(4-hydroxyanilinium) selenate(VI) dihydrate
• Formula: C12 H20 N2 O8 Se
• Calculated formula: C12 H20 N2 O8 Se
• SMILES: [Se](=O)(=O)([O-])[O-].c1(ccc(cc1)O)[NH3+].c1(ccc(cc1)O)[NH3+].O.O
• Title of publication: A three-dimensional hydrogen-bonded network in bis(4-hydroxyanilinium) selenate(VI) dihydrate
• Authors of publication: Janczak, Jan; Perpétuo, Genivaldo Julio
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o121 - o122
• a: 37.632 ± 0.006 Å
• b: 6.52 ± 0.001 Å
• c: 14.431 ± 0.003 Å
• α: 90°
• β: 109.82 ± 0.01°
• γ: 90°
• Cell volume: 3331.1 ± 1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections included in the refinement: 0.0507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes